ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine

C9H12F3N3 — CID 142222948

IUPACethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC.FC(F)(F)c1nc2c([nH]1)C=CCN2
InChIInChI=1S/C7H6F3N3.C2H6/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6;1-2/h1-2,11H,3H2,(H,12,13);1-2H3
InChIKeyPSGRBCLRJHEMOJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.89
Rot. Bonds

About ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine

ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 142222948) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID142222948
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Nameethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC.FC(F)(F)c1nc2c([nH]1)C=CCN2
InChIInChI=1S/C7H6F3N3.C2H6/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6;1-2/h1-2,11H,3H2,(H,12,13);1-2H3
InChIKeyPSGRBCLRJHEMOJ-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine (CID 142222948) is ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine is CC.FC(F)(F)c1nc2c([nH]1)C=CCN2.
What is the InChIKey of ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is PSGRBCLRJHEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3.C2H6/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6;1-2/h1-2,11H,3H2,(H,12,13);1-2H3.
What are the key properties of ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 219.21 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 142222948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).